2-(3-quinolin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(3-quinolin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(2-quinolylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-quinolin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(2-quinolylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3)C(=O)N

InChI

InChI=1S/C21H21N3O2S2/c22-20(26)19-14-6-2-4-8-16(14)28-21(19)24-17(25)11-12-27-18-10-9-13-5-1-3-7-15(13)23-18/h1,3,5,7,9-10H,2,4,6,8,11-12H2,(H2,22,26)(H,24,25)